Vitas-M small molecule compound
ethyl 2-({[(1E)-1-chlorobutylidene]amino}oxy)-3,3,3-trifluoro-N-{[4-(trifluoromethyl)phenyl]carbamoyl}alaninate
Catalog ID
STL322300
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1)C(F)(F)F)O/N=C(\CCC)/Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H18ClF6N3O4 MW 477.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClF6N3O4/c1-3-5-12(18)27-31-15(17(22,23)24,13(28)30-4-2)26-14(29)25-11-8-6-10(7-9-11)16(19,20)21/h6-9H,3-5H2,1-2H3,(H2,25,26,29)/b27-12+InChIKey
HVWNJVIGBZWVJD-KKMKTNMSSA-NSynonyms
304881-00-3(E)ethyl2(((1chlorobutylidene)amino)oxy)333trifluoro2(3(4(trifluoromethyl)phenyl)ureido)propanoate
304881003
CCCC(=NOC(C(=O)OCC)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)C(F)(F)F)Cl
CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1)C(F)(F)F)ON=C(CCC)Cl
ethyl2((((1E)1chlorobutylidene)amino)oxy)333trifluoroN((4(trifluoromethyl)phenyl)carbamoyl)alaninate
ETHYL2((E)1CHLOROBUTYLIDENEAMINO)OXY333TRIFLUORO2((4(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)PROPANOATE
InChI=1SC17H18ClF6N3O4c13512(18)273115(17(2223)2413(28)3042)2614(29)25118610(7911)16(1920)21h69H35H212H3(H2252629)b2712+
MFCD00338742
ZINC000100675442
ZINC000100675446
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